N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C13H22N4O2 — CID 70781453

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCNC[C@H]2O)c(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-9(2)16-17(10(8)3)7-13(19)15-11-4-5-14-6-12(11)18/h11-12,14,18H,4-7H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyZQMKITVVOGTCCC-VXGBXAGGSA-N
MW266.34 g/mol
LogP-0.35
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 70781453) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID70781453
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCNC[C@H]2O)c(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-9(2)16-17(10(8)3)7-13(19)15-11-4-5-14-6-12(11)18/h11-12,14,18H,4-7H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyZQMKITVVOGTCCC-VXGBXAGGSA-N
XLogP-0.35
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 70781453) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)N[C@@H]2CCNC[C@H]2O)c(C)c1C.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is ZQMKITVVOGTCCC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-9(2)16-17(10(8)3)7-13(19)15-11-4-5-14-6-12(11)18/h11-12,14,18H,4-7H2,1-3H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 70781453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).